Compile Data Set for Download or QSAR

Found 158 hits with Last Name = 'saluste' and Initial = 'cg'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420714 (CHEMBL2087474) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420730 (CHEMBL2087493) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-15-13-30-17(21)16(14-10-23-20(22)24-11-14)26-18(19(30)25-15)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50420719 (CHEMBL2087479) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1 Show InChI InChI=1S/C21H26F3N9O3S/c1-37(34,35)33-4-2-30(3-5-33)11-14-12-32-13-16(15-10-26-20(25)29-17(15)21(22,23)24)28-19(18(32)27-14)31-6-8-36-9-7-31/h10,12-13H,2-9,11H2,1H3,(H2,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.06	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420736 (CHEMBL2087483) Show SMILES C[C@H]1CN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CCN1S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N9O3S/c1-15-11-27(3-4-30(15)34(2,31)32)12-17-13-29-14-18(16-9-23-21(22)24-10-16)26-20(19(29)25-17)28-5-7-33-8-6-28/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420719 (CHEMBL2087479) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1 Show InChI InChI=1S/C21H26F3N9O3S/c1-37(34,35)33-4-2-30(3-5-33)11-14-12-32-13-16(15-10-26-20(25)29-17(15)21(22,23)24)28-19(18(32)27-14)31-6-8-36-9-7-31/h10,12-13H,2-9,11H2,1H3,(H2,25,26,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50420730 (CHEMBL2087493) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-15-13-30-17(21)16(14-10-23-20(22)24-11-14)26-18(19(30)25-15)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420703 (CHEMBL2087492) Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)nc2c(nc(cn12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H29N9O3S/c1-15-17(13-27-3-5-29(6-4-27)34(2,31)32)25-20-19(28-7-9-33-10-8-28)26-18(14-30(15)20)16-11-23-21(22)24-12-16/h11-12,14H,3-10,13H2,1-2H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50420714 (CHEMBL2087474) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	14.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50420736 (CHEMBL2087483) Show SMILES C[C@H]1CN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CCN1S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N9O3S/c1-15-11-27(3-4-30(15)34(2,31)32)12-17-13-29-14-18(16-9-23-21(22)24-10-16)26-20(19(29)25-17)28-5-7-33-8-6-28/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50420703 (CHEMBL2087492) Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)nc2c(nc(cn12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H29N9O3S/c1-15-17(13-27-3-5-29(6-4-27)34(2,31)32)25-20-19(28-7-9-33-10-8-28)26-18(14-30(15)20)16-11-23-21(22)24-12-16/h11-12,14H,3-10,13H2,1-2H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50420719 (CHEMBL2087479) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1 Show InChI InChI=1S/C21H26F3N9O3S/c1-37(34,35)33-4-2-30(3-5-33)11-14-12-32-13-16(15-10-26-20(25)29-17(15)21(22,23)24)28-19(18(32)27-14)31-6-8-36-9-7-31/h10,12-13H,2-9,11H2,1H3,(H2,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50420703 (CHEMBL2087492) Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)nc2c(nc(cn12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H29N9O3S/c1-15-17(13-27-3-5-29(6-4-27)34(2,31)32)25-20-19(28-7-9-33-10-8-28)26-18(14-30(15)20)16-11-23-21(22)24-12-16/h11-12,14H,3-10,13H2,1-2H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50420730 (CHEMBL2087493) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-15-13-30-17(21)16(14-10-23-20(22)24-11-14)26-18(19(30)25-15)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50420736 (CHEMBL2087483) Show SMILES C[C@H]1CN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CCN1S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N9O3S/c1-15-11-27(3-4-30(15)34(2,31)32)12-17-13-29-14-18(16-9-23-21(22)24-10-16)26-20(19(29)25-17)28-5-7-33-8-6-28/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50420714 (CHEMBL2087474) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420737 (CHEMBL2087491) Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C20H26BrN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-16-17(21)30-13-15(14-10-23-20(22)24-11-14)25-18(19(30)26-16)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50374627 (CHEMBL270692) Show SMILES COc1cc(Nc2ncnc(n2)-n2c(Nc3c(C)cccc3C)nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C27H27N7O3/c1-16-9-8-10-17(2)23(16)32-27-31-19-11-6-7-12-20(19)34(27)26-29-15-28-25(33-26)30-18-13-21(35-3)24(37-5)22(14-18)36-4/h6-15H,1-5H3,(H,31,32)(H,28,29,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Lck by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420714 (CHEMBL2087474) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420730 (CHEMBL2087493) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-15-13-30-17(21)16(14-10-23-20(22)24-11-14)26-18(19(30)25-15)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420723 (CHEMBL2087484) Show SMILES C[C@@H]1CN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CCN1S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N9O3S/c1-15-11-27(3-4-30(15)34(2,31)32)12-17-13-29-14-18(16-9-23-21(22)24-10-16)26-20(19(29)25-17)28-5-7-33-8-6-28/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420722 (CHEMBL2087482) Show SMILES C[C@H]1CN(C[C@@H](C)N1Cc1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H31N9O3S/c1-15-10-30(35(3,32)33)11-16(2)31(15)13-18-12-29-14-19(17-8-24-22(23)25-9-17)27-21(20(29)26-18)28-4-6-34-7-5-28/h8-9,12,14-16H,4-7,10-11,13H2,1-3H3,(H2,23,24,25)/t15-,16+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50374627 (CHEMBL270692) Show SMILES COc1cc(Nc2ncnc(n2)-n2c(Nc3c(C)cccc3C)nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C27H27N7O3/c1-16-9-8-10-17(2)23(16)32-27-31-19-11-6-7-12-20(19)34(27)26-29-15-28-25(33-26)30-18-13-21(35-3)24(37-5)22(14-18)36-4/h6-15H,1-5H3,(H,31,32)(H,28,29,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of KDR by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50374625 (CHEMBL403522) Show SMILES COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)ccc1N1CCN(C)CC1 |(-2.95,-19.43,;-4.29,-20.2,;-4.29,-21.74,;-2.96,-22.51,;-2.97,-24.05,;-1.64,-24.82,;-.3,-24.05,;-.3,-22.51,;1.02,-21.74,;2.36,-22.5,;2.36,-24.05,;1.03,-24.83,;3.7,-24.82,;4.02,-26.32,;3.11,-27.55,;3.73,-28.96,;5.26,-29.13,;6.16,-27.89,;5.55,-26.49,;6.18,-25.09,;5.04,-24.05,;5.04,-22.5,;6.37,-21.74,;6.37,-20.2,;5.03,-19.44,;7.7,-19.43,;9.04,-20.2,;9.03,-21.75,;7.7,-22.51,;7.69,-24.05,;3.7,-21.73,;3.7,-20.19,;-4.29,-24.82,;-5.62,-24.05,;-5.63,-22.51,;-6.96,-21.74,;-6.95,-20.2,;-8.28,-19.43,;-9.62,-20.19,;-10.95,-19.42,;-9.62,-21.73,;-8.29,-22.51,)| Show InChI InChI=1S/C32H32N8O2/c1-20-8-7-9-21(2)28(20)40-30(41)23-19-33-31(36-29(23)39-25-11-6-5-10-24(25)35-32(39)40)34-22-12-13-26(27(18-22)42-4)38-16-14-37(3)15-17-38/h5-13,18-19H,14-17H2,1-4H3,(H,33,34,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Lck by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420730 (CHEMBL2087493) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-15-13-30-17(21)16(14-10-23-20(22)24-11-14)26-18(19(30)25-15)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human U2OS cells assessed as inhibition of AKT Ser 473 phosphorylation by Western blot				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420736 (CHEMBL2087483) Show SMILES C[C@H]1CN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CCN1S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N9O3S/c1-15-11-27(3-4-30(15)34(2,31)32)12-17-13-29-14-18(16-9-23-21(22)24-10-16)26-20(19(29)25-17)28-5-7-33-8-6-28/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50374621 (CHEMBL260956) Show SMILES COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)cc(OC)c1OCCN1CCN(C)CC1 |(-2.05,-47.19,;-3.39,-47.96,;-3.39,-49.5,;-2.06,-50.27,;-2.07,-51.81,;-.74,-52.59,;.59,-51.82,;.6,-50.27,;1.92,-49.5,;3.26,-50.27,;3.26,-51.81,;1.92,-52.59,;4.6,-52.58,;4.92,-54.08,;4.01,-55.32,;4.62,-56.73,;6.16,-56.89,;7.06,-55.66,;6.44,-54.26,;7.08,-52.85,;5.93,-51.82,;5.94,-50.27,;7.27,-49.5,;7.27,-47.97,;5.93,-47.2,;8.59,-47.2,;9.94,-47.97,;9.93,-49.51,;8.6,-50.28,;8.59,-51.82,;4.59,-49.49,;4.59,-47.95,;-3.39,-52.58,;-4.73,-51.82,;-6.06,-52.59,;-7.39,-51.82,;-4.73,-50.27,;-6.06,-49.5,;-7.4,-50.27,;-8.73,-49.5,;-8.74,-47.96,;-7.41,-47.18,;-7.42,-45.65,;-8.75,-44.88,;-8.76,-43.34,;-10.08,-45.66,;-10.07,-47.2,)| Show InChI InChI=1S/C35H38N8O4/c1-22-9-8-10-23(2)30(22)43-33(44)25-21-36-34(39-32(25)42-27-12-7-6-11-26(27)38-35(42)43)37-24-19-28(45-4)31(29(20-24)46-5)47-18-17-41-15-13-40(3)14-16-41/h6-12,19-21H,13-18H2,1-5H3,(H,36,37,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Lck by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50374628 (CHEMBL271131) Show SMILES COc1cc(Nc2ncnc(n2)-n2c(Nc3ccccc3)nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C25H23N7O3/c1-33-20-13-17(14-21(34-2)22(20)35-3)28-23-26-15-27-24(31-23)32-19-12-8-7-11-18(19)30-25(32)29-16-9-5-4-6-10-16/h4-15H,1-3H3,(H,29,30)(H,26,27,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Lck by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50374616 (CHEMBL260306) Show SMILES COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)cc(OC)c1OCCCN1CCN(C)CC1 |(22.25,-6.46,;20.92,-7.23,;20.91,-8.77,;22.24,-9.54,;22.23,-11.08,;23.56,-11.85,;24.9,-11.08,;24.9,-9.54,;26.23,-8.77,;27.57,-9.53,;27.57,-11.08,;26.23,-11.85,;28.9,-11.85,;29.22,-13.35,;28.31,-14.58,;28.93,-15.99,;30.46,-16.16,;31.37,-14.92,;30.75,-13.52,;31.38,-12.12,;30.24,-11.08,;30.24,-9.53,;31.58,-8.77,;31.57,-7.23,;30.24,-6.47,;32.9,-6.46,;34.24,-7.23,;34.24,-8.78,;32.9,-9.54,;32.9,-11.08,;28.9,-8.76,;28.9,-7.22,;20.91,-11.85,;19.58,-11.08,;18.25,-11.86,;18.25,-13.4,;19.58,-9.54,;18.24,-8.77,;16.91,-9.54,;15.58,-8.77,;15.58,-7.23,;16.91,-6.46,;18.24,-7.24,;19.57,-6.47,;19.58,-4.93,;20.92,-4.17,;18.25,-4.16,;16.91,-4.92,)| Show InChI InChI=1S/C36H40N8O4/c1-23-10-8-11-24(2)31(23)44-34(45)26-22-37-35(40-33(26)43-28-13-7-6-12-27(28)39-36(43)44)38-25-20-29(46-4)32(30(21-25)47-5)48-19-9-14-42-17-15-41(3)16-18-42/h6-8,10-13,20-22H,9,14-19H2,1-5H3,(H,37,38,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Lck by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420719 (CHEMBL2087479) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1 Show InChI InChI=1S/C21H26F3N9O3S/c1-37(34,35)33-4-2-30(3-5-33)11-14-12-32-13-16(15-10-26-20(25)29-17(15)21(22,23)24)28-19(18(32)27-14)31-6-8-36-9-7-31/h10,12-13H,2-9,11H2,1H3,(H2,25,26,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420731 (CHEMBL2087494) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1 Show InChI InChI=1S/C21H25ClF3N9O3S/c1-38(35,36)33-4-2-31(3-5-33)11-13-12-34-17(22)15(14-10-27-20(26)30-16(14)21(23,24)25)29-18(19(34)28-13)32-6-8-37-9-7-32/h10,12H,2-9,11H2,1H3,(H2,26,27,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50374628 (CHEMBL271131) Show SMILES COc1cc(Nc2ncnc(n2)-n2c(Nc3ccccc3)nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C25H23N7O3/c1-33-20-13-17(14-21(34-2)22(20)35-3)28-23-26-15-27-24(31-23)32-19-12-8-7-11-18(19)30-25(32)29-16-9-5-4-6-10-16/h4-15H,1-3H3,(H,29,30)(H,26,27,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of KDR by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50374608 (CHEMBL410295) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c(nc4ccccc24)n(-c2c(C)cccc2C)c3=O)cc1 |(-5.07,-9.29,;-3.87,-8.32,;-4.12,-6.8,;-2.92,-5.83,;-1.48,-6.38,;-1.24,-7.9,;-2.43,-8.87,;-.29,-5.41,;1.15,-5.96,;2.35,-4.99,;2.11,-3.47,;3.3,-2.5,;3.06,-.98,;4.25,-.01,;4.01,1.51,;2.57,2.06,;1.38,1.09,;1.62,-.43,;-.06,1.64,;-.3,3.16,;-1.82,3.4,;-2.52,2.03,;-4.01,1.63,;-4.41,.14,;-3.32,-.95,;-1.83,-.55,;-1.43,.94,;.89,4.13,;.65,5.65,;-.79,6.2,;-1.98,5.23,;-1.03,7.72,;.17,8.7,;1.6,8.15,;1.85,6.62,;3.28,6.07,;2.33,3.58,;3.53,4.55,;.67,-2.92,;-.53,-3.89,)| Show InChI InChI=1S/C31H30N8O/c1-20-7-6-8-21(2)27(20)39-29(40)24-19-32-30(35-28(24)38-26-10-5-4-9-25(26)34-31(38)39)33-22-11-13-23(14-12-22)37-17-15-36(3)16-18-37/h4-14,19H,15-18H2,1-3H3,(H,32,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Lck by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50374614 (CHEMBL254674) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(Cl)cc(Cl)cc2Cl)c3=O)cc1 |(13.38,-19.23,;14.71,-20,;16.05,-19.24,;17.38,-20.01,;17.37,-21.55,;16.04,-22.32,;14.71,-21.55,;18.7,-22.32,;20.04,-21.55,;21.37,-22.32,;21.36,-23.86,;22.69,-24.63,;24.03,-23.87,;24.03,-22.32,;25.35,-21.55,;26.7,-22.31,;26.69,-23.86,;25.36,-24.64,;28.03,-24.63,;28.35,-26.13,;27.44,-27.37,;28.06,-28.77,;29.59,-28.94,;30.49,-27.7,;29.88,-26.3,;30.51,-24.9,;29.37,-23.86,;29.37,-22.32,;30.7,-21.55,;30.7,-20.01,;29.36,-19.25,;32.03,-19.24,;33.37,-20.02,;34.7,-19.25,;33.37,-21.56,;32.03,-22.32,;32.03,-23.86,;28.03,-21.54,;28.03,-20,;20.04,-24.63,;18.71,-23.87,)| Show InChI InChI=1S/C29H23Cl3N8O/c1-37-10-12-38(13-11-37)19-8-6-18(7-9-19)34-28-33-16-20-26(36-28)39-24-5-3-2-4-23(24)35-29(39)40(27(20)41)25-21(31)14-17(30)15-22(25)32/h2-9,14-16H,10-13H2,1H3,(H,33,34,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Lck by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420737 (CHEMBL2087491) Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C20H26BrN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-16-17(21)30-13-15(14-10-23-20(22)24-11-14)25-18(19(30)26-16)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human U2OS cells assessed as inhibition of AKT Ser 473 phosphorylation by Western blot				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420714 (CHEMBL2087474) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human U2OS cells assessed as inhibition of AKT Ser 473 phosphorylation by Western blot				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50374619 (CHEMBL406804) Show SMILES COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)cc(OC)c1OCCN1CCOCC1 |(-1.93,5.11,;-3.27,4.34,;-3.27,2.8,;-1.94,2.03,;-1.95,.49,;-.62,-.29,;.71,.48,;.72,2.03,;2.04,2.8,;3.38,2.04,;3.38,.49,;2.04,-.29,;4.72,-.28,;5.04,-1.78,;4.13,-3.02,;4.74,-4.42,;6.28,-4.59,;7.18,-3.35,;6.56,-1.95,;7.19,-.55,;6.05,.48,;6.06,2.03,;7.39,2.8,;7.39,4.34,;6.05,5.1,;8.71,5.11,;10.06,4.33,;10.05,2.79,;8.72,2.03,;8.71,.49,;4.71,2.81,;4.71,4.35,;-3.27,-.28,;-4.61,.48,;-5.94,-.29,;-7.27,.48,;-4.61,2.03,;-5.94,2.8,;-7.28,2.03,;-8.61,2.8,;-8.62,4.35,;-7.29,5.12,;-7.3,6.65,;-8.63,7.42,;-9.96,6.64,;-9.95,5.1,)| Show InChI InChI=1S/C34H35N7O5/c1-21-8-7-9-22(2)29(21)41-32(42)24-20-35-33(38-31(24)40-26-11-6-5-10-25(26)37-34(40)41)36-23-18-27(43-3)30(28(19-23)44-4)46-17-14-39-12-15-45-16-13-39/h5-11,18-20H,12-17H2,1-4H3,(H,35,36,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Lck by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420703 (CHEMBL2087492) Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)nc2c(nc(cn12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H29N9O3S/c1-15-17(13-27-3-5-29(6-4-27)34(2,31)32)25-20-19(28-7-9-33-10-8-28)26-18(14-30(15)20)16-11-23-21(22)24-12-16/h11-12,14H,3-10,13H2,1-2H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50374615 (CHEMBL406661) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(Cl)cccc2Cl)c3=O)cc1 |(-12.03,-20.12,;-10.7,-20.89,;-9.36,-20.13,;-8.03,-20.9,;-8.04,-22.44,;-9.37,-23.21,;-10.7,-22.44,;-6.71,-23.21,;-5.37,-22.44,;-4.04,-23.21,;-4.05,-24.75,;-2.72,-25.52,;-1.38,-24.76,;-1.38,-23.21,;-.06,-22.44,;1.29,-23.2,;1.28,-24.75,;-.05,-25.53,;2.62,-25.52,;2.94,-27.02,;2.03,-28.26,;2.65,-29.66,;4.18,-29.83,;5.08,-28.59,;4.47,-27.19,;5.1,-25.79,;3.96,-24.75,;3.96,-23.21,;5.29,-22.44,;5.29,-20.9,;3.95,-20.14,;6.62,-20.13,;7.96,-20.91,;7.96,-22.45,;6.62,-23.21,;6.62,-24.75,;2.62,-22.43,;2.62,-20.89,;-5.37,-25.52,;-6.7,-24.76,)| Show InChI InChI=1S/C29H24Cl2N8O/c1-36-13-15-37(16-14-36)19-11-9-18(10-12-19)33-28-32-17-20-26(35-28)38-24-8-3-2-7-23(24)34-29(38)39(27(20)40)25-21(30)5-4-6-22(25)31/h2-12,17H,13-16H2,1H3,(H,32,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Lck by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420719 (CHEMBL2087479) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1 Show InChI InChI=1S/C21H26F3N9O3S/c1-37(34,35)33-4-2-30(3-5-33)11-14-12-32-13-16(15-10-26-20(25)29-17(15)21(22,23)24)28-19(18(32)27-14)31-6-8-36-9-7-31/h10,12-13H,2-9,11H2,1H3,(H2,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.2	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human U2OS cells assessed as inhibition of AKT Ser 473 phosphorylation by Western blot				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420732 (CHEMBL2087495) Show SMILES CNc1ncc(cn1)-c1nc(N2CCOCC2)c2nc(CN3CCN(CC3)S(C)(=O)=O)cn2c1Cl Show InChI InChI=1S/C21H28ClN9O3S/c1-23-21-24-11-15(12-25-21)17-18(22)31-14-16(13-28-3-5-30(6-4-28)35(2,32)33)26-20(31)19(27-17)29-7-9-34-10-8-29/h11-12,14H,3-10,13H2,1-2H3,(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.4	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50374617 (CHEMBL405430) Show SMILES COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)ccc1OCCCN1CCN(C)CC1 |(-3.89,-6.67,;-5.23,-7.43,;-5.23,-8.97,;-3.9,-9.74,;-3.91,-11.29,;-2.58,-12.06,;-1.25,-11.29,;-1.24,-9.74,;.08,-8.97,;1.42,-9.74,;1.42,-11.28,;.08,-12.06,;2.76,-12.05,;3.08,-13.56,;2.17,-14.79,;2.79,-16.2,;4.32,-16.36,;5.22,-15.13,;4.6,-13.73,;5.24,-12.32,;4.09,-11.29,;4.1,-9.74,;5.43,-8.97,;5.43,-7.44,;4.09,-6.67,;6.75,-6.67,;8.1,-7.44,;8.09,-8.98,;6.76,-9.75,;6.75,-11.29,;2.76,-8.96,;2.76,-7.42,;-5.23,-12.05,;-6.57,-11.29,;-6.57,-9.74,;-7.9,-8.97,;-9.24,-9.74,;-10.57,-8.97,;-10.57,-7.43,;-9.24,-6.66,;-7.9,-7.44,;-6.57,-6.68,;-6.56,-5.14,;-5.23,-4.37,;-7.9,-4.36,;-9.24,-5.13,)| Show InChI InChI=1S/C35H38N8O3/c1-23-9-7-10-24(2)31(23)43-33(44)26-22-36-34(39-32(26)42-28-12-6-5-11-27(28)38-35(42)43)37-25-13-14-29(30(21-25)45-4)46-20-8-15-41-18-16-40(3)17-19-41/h5-7,9-14,21-22H,8,15-20H2,1-4H3,(H,36,37,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Lck by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50374618 (CHEMBL408030) Show SMILES Cc1cccc(C)c1-n1c2nc3ccccc3n2c2nc(Nc3ccc(OCCCN4CCCCC4)cc3)ncc2c1=O |(29.92,5.51,;31.26,4.75,;32.58,5.52,;33.93,4.74,;33.92,3.2,;32.59,2.44,;32.58,.9,;31.26,3.21,;29.93,2.44,;29.92,.9,;31.06,-.14,;30.43,-1.54,;31.05,-2.94,;30.15,-4.18,;28.61,-4.01,;28,-2.61,;28.91,-1.37,;28.59,.13,;27.25,.9,;25.91,.12,;24.58,.89,;23.25,.13,;21.92,.9,;21.93,2.44,;20.6,3.21,;19.26,2.44,;17.93,3.21,;16.59,2.44,;15.26,3.21,;15.26,4.75,;16.59,5.52,;17.93,4.74,;19.26,5.51,;19.27,7.05,;17.93,7.82,;16.59,7.05,;19.26,.89,;20.6,.13,;24.59,2.44,;25.91,3.21,;27.25,2.45,;28.58,3.22,;28.58,4.76,)| Show InChI InChI=1S/C34H35N7O2/c1-23-10-8-11-24(2)30(23)41-32(42)27-22-35-33(38-31(27)40-29-13-5-4-12-28(29)37-34(40)41)36-25-14-16-26(17-15-25)43-21-9-20-39-18-6-3-7-19-39/h4-5,8,10-17,22H,3,6-7,9,18-21H2,1-2H3,(H,35,36,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Lck by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420733 (CHEMBL2087496) Show SMILES Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc(CN3CCN(CC3)S(C)(=O)=O)cn2c1Cl Show InChI InChI=1S/C21H28ClN9O3S/c1-14-16(11-24-21(23)25-14)17-18(22)31-13-15(12-28-3-5-30(6-4-28)35(2,32)33)26-20(31)19(27-17)29-7-9-34-10-8-29/h11,13H,3-10,12H2,1-2H3,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420729 (CHEMBL2087490) Show SMILES CCS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C21H29N9O3S/c1-2-34(31,32)30-5-3-27(4-6-30)13-17-14-29-15-18(16-11-23-21(22)24-12-16)26-20(19(29)25-17)28-7-9-33-10-8-28/h11-12,14-15H,2-10,13H2,1H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420703 (CHEMBL2087492) Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)nc2c(nc(cn12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H29N9O3S/c1-15-17(13-27-3-5-29(6-4-27)34(2,31)32)25-20-19(28-7-9-33-10-8-28)26-18(14-30(15)20)16-11-23-21(22)24-12-16/h11-12,14H,3-10,13H2,1-2H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.4	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human U2OS cells assessed as inhibition of AKT Ser 473 phosphorylation by Western blot				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420718 (CHEMBL2087478) Show SMILES CNc1ncc(cn1)-c1cn2cc(CN3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCOCC1 Show InChI InChI=1S/C21H29N9O3S/c1-22-21-23-11-16(12-24-21)18-15-29-14-17(13-27-3-5-30(6-4-27)34(2,31)32)25-19(29)20(26-18)28-7-9-33-10-8-28/h11-12,14-15H,3-10,13H2,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.4	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50374622 (CHEMBL407279) Show SMILES COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)ccc1OCCN1CCN(C)CC1 |(21.28,-33.67,;19.94,-34.43,;19.94,-35.97,;21.27,-36.75,;21.26,-38.29,;22.59,-39.06,;23.92,-38.29,;23.93,-36.75,;25.25,-35.98,;26.59,-36.74,;26.59,-38.29,;25.26,-39.06,;27.93,-39.06,;28.25,-40.56,;27.34,-41.79,;27.96,-43.2,;29.49,-43.36,;30.39,-42.13,;29.78,-40.73,;30.41,-39.32,;29.27,-38.29,;29.27,-36.74,;30.6,-35.97,;30.6,-34.44,;29.26,-33.67,;31.93,-33.67,;33.27,-34.44,;33.26,-35.98,;31.93,-36.75,;31.92,-38.29,;27.93,-35.96,;27.93,-34.42,;19.94,-39.06,;18.6,-38.29,;18.6,-36.74,;17.27,-35.97,;15.93,-36.74,;14.6,-35.97,;14.6,-34.43,;15.92,-33.65,;15.91,-32.12,;14.58,-31.36,;14.57,-29.82,;13.25,-32.14,;13.26,-33.68,)| Show InChI InChI=1S/C34H36N8O3/c1-22-8-7-9-23(2)30(22)42-32(43)25-21-35-33(38-31(25)41-27-11-6-5-10-26(27)37-34(41)42)36-24-12-13-28(29(20-24)44-4)45-19-18-40-16-14-39(3)15-17-40/h5-13,20-21H,14-19H2,1-4H3,(H,35,36,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Lck by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50374623 (CHEMBL261174) Show SMILES CN(C)CCCOc1ccc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)cc1 |(-10.01,-30.27,;-10.01,-31.81,;-11.34,-32.58,;-8.68,-32.58,;-8.68,-34.12,;-7.35,-34.89,;-7.35,-36.43,;-6.01,-37.2,;-4.68,-36.43,;-3.34,-37.2,;-3.36,-38.74,;-2.02,-39.51,;-.69,-38.74,;-.69,-37.2,;.64,-36.43,;1.98,-37.19,;1.98,-38.74,;.64,-39.52,;3.31,-39.51,;3.63,-41.01,;2.73,-42.24,;3.34,-43.65,;4.87,-43.82,;5.78,-42.58,;5.16,-41.18,;5.79,-39.78,;4.65,-38.74,;4.65,-37.19,;5.99,-36.43,;5.98,-34.89,;4.65,-34.13,;7.31,-34.12,;8.65,-34.89,;8.65,-36.44,;7.31,-37.2,;7.31,-38.74,;3.31,-36.42,;3.31,-34.88,;-4.68,-39.51,;-6.01,-38.74,)| Show InChI InChI=1S/C31H31N7O2/c1-20-9-7-10-21(2)27(20)38-29(39)24-19-32-30(33-22-13-15-23(16-14-22)40-18-8-17-36(3)4)35-28(24)37-26-12-6-5-11-25(26)34-31(37)38/h5-7,9-16,19H,8,17-18H2,1-4H3,(H,32,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Lck by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50374608 (CHEMBL410295) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c(nc4ccccc24)n(-c2c(C)cccc2C)c3=O)cc1 |(-5.07,-9.29,;-3.87,-8.32,;-4.12,-6.8,;-2.92,-5.83,;-1.48,-6.38,;-1.24,-7.9,;-2.43,-8.87,;-.29,-5.41,;1.15,-5.96,;2.35,-4.99,;2.11,-3.47,;3.3,-2.5,;3.06,-.98,;4.25,-.01,;4.01,1.51,;2.57,2.06,;1.38,1.09,;1.62,-.43,;-.06,1.64,;-.3,3.16,;-1.82,3.4,;-2.52,2.03,;-4.01,1.63,;-4.41,.14,;-3.32,-.95,;-1.83,-.55,;-1.43,.94,;.89,4.13,;.65,5.65,;-.79,6.2,;-1.98,5.23,;-1.03,7.72,;.17,8.7,;1.6,8.15,;1.85,6.62,;3.28,6.07,;2.33,3.58,;3.53,4.55,;.67,-2.92,;-.53,-3.89,)| Show InChI InChI=1S/C31H30N8O/c1-20-7-6-8-21(2)27(20)39-29(40)24-19-32-30(35-28(24)38-26-10-5-4-9-25(26)34-31(38)39)33-22-11-13-23(14-12-22)37-17-15-36(3)16-18-37/h4-14,19H,15-18H2,1-3H3,(H,32,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Lyn by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420717 (CHEMBL2087477) Show SMILES Cc1ncc(cn1)-c1cn2cc(CN3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCOCC1 Show InChI InChI=1S/C21H28N8O3S/c1-16-22-11-17(12-23-16)19-15-28-14-18(13-26-3-5-29(6-4-26)33(2,30)31)24-20(28)21(25-19)27-7-9-32-10-8-27/h11-12,14-15H,3-10,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.1	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair

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